N-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3-fluorophenyl)propanamide

C19H20F3NO — CID 86894208

IUPACN-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3-fluorophenyl)propanamide
SMILESCC(CCc1ccc(F)c(F)c1)NC(=O)CCc1cccc(F)c1
InChIInChI=1S/C19H20F3NO/c1-13(5-6-15-7-9-17(21)18(22)12-15)23-19(24)10-8-14-3-2-4-16(20)11-14/h2-4,7,9,11-13H,5-6,8,10H2,1H3,(H,23,24)
InChIKeyGAPSAHFCTUBYTD-UHFFFAOYSA-N
MW335.37 g/mol
LogP4.17
Rot. Bonds7

About N-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3-fluorophenyl)propanamide

N-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3-fluorophenyl)propanamide (PubChem CID 86894208) has the molecular formula C19H20F3NO and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3-fluorophenyl)propanamide
PubChem CID86894208
Molecular FormulaC19H20F3NO
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC NameN-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3-fluorophenyl)propanamide
SMILESCC(CCc1ccc(F)c(F)c1)NC(=O)CCc1cccc(F)c1
InChIInChI=1S/C19H20F3NO/c1-13(5-6-15-7-9-17(21)18(22)12-15)23-19(24)10-8-14-3-2-4-16(20)11-14/h2-4,7,9,11-13H,5-6,8,10H2,1H3,(H,23,24)
InChIKeyGAPSAHFCTUBYTD-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 51725488
3-(4-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94870735
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 95901327
N-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 86894232
2-[[(2S)-4-(3-fluorophenyl)butan-2-yl]amino]-2-oxoacetic acid
CID 99784116
3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103782223
2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide
CID 92647594
(2R)-2-[3-(3,4-difluorophenyl)propanoylamino]-3-methylbutanoic acid
CID 79010917
3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247057
3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43427720
3-(3,4-difluorophenyl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide
CID 55609022
(2S)-2-[3-(3,4-difluorophenyl)propanoylamino]hexanoic acid
CID 107144250

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3-fluorophenyl)propanamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3-fluorophenyl)propanamide (CID 86894208) is N-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3-fluorophenyl)propanamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3-fluorophenyl)propanamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3-fluorophenyl)propanamide is CC(CCc1ccc(F)c(F)c1)NC(=O)CCc1cccc(F)c1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3-fluorophenyl)propanamide?
The InChIKey is GAPSAHFCTUBYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO/c1-13(5-6-15-7-9-17(21)18(22)12-15)23-19(24)10-8-14-3-2-4-16(20)11-14/h2-4,7,9,11-13H,5-6,8,10H2,1H3,(H,23,24).
What are the key properties of N-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3-fluorophenyl)propanamide?
N-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3-fluorophenyl)propanamide has a molecular weight of 335.37 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3-fluorophenyl)propanamide is sourced from PubChem (CID 86894208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).